SCHEMBL10180800

SCHEMBL10180800

O=C(Oc1cccc(F)c1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
KMT2A Q03164 3/20 0.45
USP2 O75604 1/20 0.45
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MEN1 O00255 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KCNN4 O15554 1/20 0.41
PARP1 P09874 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR4A2 P43354 1/20 0.39
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10181437 0.86 ESR1 (0.46) ESR1ESR2KMT2AUSP2PPARG
SCHEMBL21281787 0.84 ELANE (0.52) ESR1ESR2NPC1RAB9ACYP3A4
SCHEMBL15495641 0.82 RIPK1 (0.49) ESR1ESR2KMT2APPARGPPARA
SCHEMBL11436506 0.81 CYP3A4 (0.59) ESR1ESR2KMT2AMEN1ALDH1A1
SCHEMBL5487011 0.80 ESR1 (0.54) ESR1ESR2KMT2APPARGPPARA
SCHEMBL10179981 0.80 CYP4F2 (0.42) KMT2AUSP2CES2CES1
SCHEMBL10732623 0.80 PRSS1 (0.52) PPARGPPARACES2ALDH1A1MRGPRX4
SCHEMBL11723182 0.80 KMT2A (0.51) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL10559530 0.80 LMNA (0.62) KMT2APPARGMEN1HPGDALDH1A1
SCHEMBL4658587 0.79 AKR1C3 (0.51) KMT2AMEN1ALDH1A1POLBHDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104112870-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2014-10-22 CN disclosed
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed
CN-102484281-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2012-05-30 CN disclosed